Geometry & MOs

Info

ID:	195150
PubChem CID:	78644384
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	333.112484
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	3.81
IP(EA), eV:	-9.14(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-(6-methyl-2-nitropyridin-3-yl)oxypropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=NC(=NC(=O)C2C=C1)COC(=O)CC3=CSC=C3

DOS

IR

Vibrations